| Properties | Image |
|---|
| MNX_ID | MNXM112755 |
 |
| reference | lipidmapsM:LMGL03016285 |
| formula | C65H112O6 |
| global charge | 0 |
| mol weight | 989.605 |
| InChIKey | PUBBNCWAWPBJLP-OFCIKNDHSA-N |
| InChI | InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27-28,31-34,36,40,43,62H,4-6,8-9,11-15,17-18,20-24,26,29-30,35,37-39,41-42,44-61H2,1-3H3/b10-7-,19-16-,28-25-,33-31-,34-32-,36-27-,43-40-/t62-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)OC(=O)CCCCCCCCC/C=C\CCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27-28,31-34,36,40,43,62H,4-6,8-9,11-15,17-18,20-24,26,29-30,35,37-39,41-42,44-61H2,1-3H3/b10-7-,19-16-,28-25-,33-31-,34-32-,36-27-,43-40-/t62-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4]/[CH:7]=[CH:10]\[CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:25]=[CH:28]\[CH2:30]/[CH:32]=[CH:34]\[CH2:37]/[CH:40]=[CH:43]\[CH2:46][CH2:49][CH2:52][CH2:55][CH2:58][C:64](=[O:67])[O:70][CH2:61][C@@H:62]([CH2:60][O:69][C:63]([CH2:57][CH2:54][CH2:51][CH2:48][CH2:45][CH2:42][CH2:39]/[CH:36]=[CH:27]\[CH2:24][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:66])[O:71][C:65]([CH2:59][CH2:56][CH2:53][CH2:50][CH2:47][CH2:44][CH2:41][CH2:38][CH2:35]/[CH:33]=[CH:31]\[CH2:29][CH2:26][CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:68] |
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